1-(4-Chlorophenyl)-1H-pyrrole

C10H8ClNCAS 5044-38-2177.63 g/mol

Open in Covalent MOL file
NCl
Aryl halide

Properties

Molecular formula
C10H8ClN
Molar mass
177.63 g/mol
Exact mass
177.0345 Da
logP
3.13Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5044-38-2
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)Cl
InChIKey
LTOQUFIOYDCJFJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-(4-Chlorophenyl)-1H-pyrrole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Phenylpyrrole635-90-555 % similar N-(4-Fluorophenyl)pyrrole81329-31-952 % similar 1-(4-Iodophenyl)pyrrole92636-36-752 % similar 1,4-Dichlorobenzene106-46-747 % similar 1-(4-Methoxyphenyl)-1H-pyrrole5145-71-146 % similar 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-842 % similar 1-(4-Nitrophenyl)-1H-pyrrole4533-42-042 % similar 1-(3-Bromophenyl)-1H-pyrrole107302-22-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6-methylquinoline18436-71-0 4-Chloro-8-methylquinoline18436-73-2 8-Chloro-2-methylquinoline3033-82-7 4-Chloro-2-methylquinoline4295-06-1 2-Chloro-6-methylquinoline4295-11-8 5-Chloroquinaldine4964-69-6 7-Chloroquinaldine4965-33-7 2-Chloro-3-methylquinoline57876-69-4

Elsewhere

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